In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 19 | Yes |
Popular Name: (2S)-N1-tert-butyl-N2-(2-dimethylaminoethyl)-3-methyl-N2-propyl-butane-1,2-diamine (2S)-N1-tert-butyl-N2-(2-dimethy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.33 | 6.93 | -107.74 | 3 | 3 | 2 | 24 | 273.509 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 6.65 | -35.33 | 2 | 3 | 1 | 20 | 272.501 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 5.98 | -32.53 | 2 | 3 | 1 | 23 | 272.501 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 8.44 | -96.43 | 3 | 3 | 2 | 24 | 273.509 | 10 | ↓ |